%chk=000206030.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206030

0 1
S 3.364175 0.039666 1.005611
O -3.281614 -1.345068 0.395280
N -2.401395 0.694299 -0.334769
N -4.726063 0.196492 -0.491396
N 4.637839 -0.726749 -1.427507
C -1.032202 0.485192 -0.002819
C -0.150607 1.572669 -0.210559
C -0.547460 -0.742382 0.488423
C 1.678051 0.196298 0.557373
C 1.204860 1.419148 0.070218
C 0.810820 -0.882689 0.762757
C -3.444018 -0.252001 -0.113749
C 4.089329 -0.417122 -0.460117
H -0.516470 2.524307 -0.588123
H -1.231648 -1.583801 0.657185
H 1.889488 2.255642 -0.091869
H 1.189093 -1.837607 1.138533
H -2.646799 1.632460 -0.658562
H -5.468918 -0.493611 -0.458926
H -4.864561 0.931457 -1.163383


%chk=000206030-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206030

0 1
S 3.485713 0.032182 1.058447
O -3.373159 -1.431405 0.331761
N -2.427206 0.638695 -0.318868
N -4.720041 0.223053 -0.593870
N 4.724708 -0.602937 -1.544926
C -1.063328 0.437680 0.006398
C -0.169007 1.518973 -0.237420
C -0.562667 -0.776131 0.553956
C 1.686697 0.184961 0.592514
C 1.201223 1.397390 0.058035
C 0.813046 -0.893634 0.840863
C -3.492046 -0.271884 -0.158718
C 4.188553 -0.347720 -0.502945
H -0.545300 2.459946 -0.658456
H -1.249900 -1.602552 0.742022
H 1.881428 2.233746 -0.128857
H 1.200667 -1.829633 1.254848
H -2.647880 1.554663 -0.714729
H -5.518376 -0.399508 -0.495573
H -4.861226 1.140715 -1.010880


